Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-hydroxy-2,4-dimethoxyphenyl)ethanone
Catalog ID
STL140455
SMILES COc1ccc(c(c1O)OC)C(=O)CSc1nnc(n1C(C)C)c1cc2c(o1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-13(2)26-22(19-11-14-7-5-6-8-17(14)31-19)24-25-23(26)32-12-16(27)15-9-10-18(29-3)20(28)21(15)30-4/h5-11,13,28H,12H2,1-4H3InChIKey
ADTXSQNGNUEREW-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(3hydroxy24dimethoxyphenyl)ethanone
2((5(1benzofuran2yl)4propan2yl124triazol3yl)sulfanyl)1(3hydroxy24dimethoxyphenyl)ethanone
CC(C)N1C(=NN=C1SCC(=O)C2=C(C(=C(C=C2)OC)O)OC)C3=CC4=CC=CC=C4O3
InChI=1SC23H23N3O5Sc113(2)2622(191114756817(14)3119)242523(26)321216(27)1591018(293)20(28)21(15)304h5111328H12H214H3
MFCD18434960
ZINC000057291890
ZINC57291890
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